methyl 2-oxoindole-6-carboxylate;hydrochloride

C10H8ClNO3 — CID 175873027

IUPACmethyl 2-oxoindole-6-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)C=2.Cl
InChIInChI=1S/C10H7NO3.ClH/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7;/h2-5H,1H3;1H
InChIKeyVTKVZOIJAMKPOP-UHFFFAOYSA-N
MW225.63 g/mol
LogP-0.16
Rot. Bonds1

About methyl 2-oxoindole-6-carboxylate;hydrochloride

methyl 2-oxoindole-6-carboxylate;hydrochloride (PubChem CID 175873027) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is methyl 2-oxoindole-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-oxoindole-6-carboxylate;hydrochloride
PubChem CID175873027
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Namemethyl 2-oxoindole-6-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)C=2.Cl
InChIInChI=1S/C10H7NO3.ClH/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7;/h2-5H,1H3;1H
InChIKeyVTKVZOIJAMKPOP-UHFFFAOYSA-N
XLogP-0.16
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxoindole-6-carboxylate;hydrochloride?
The IUPAC name of methyl 2-oxoindole-6-carboxylate;hydrochloride (CID 175873027) is methyl 2-oxoindole-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-oxoindole-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-oxoindole-6-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)=NC(=O)C=2.Cl.
What is the InChIKey of methyl 2-oxoindole-6-carboxylate;hydrochloride?
The InChIKey is VTKVZOIJAMKPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.ClH/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7;/h2-5H,1H3;1H.
What are the key properties of methyl 2-oxoindole-6-carboxylate;hydrochloride?
methyl 2-oxoindole-6-carboxylate;hydrochloride has a molecular weight of 225.63 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxoindole-6-carboxylate;hydrochloride is sourced from PubChem (CID 175873027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).